EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C49H92O6 |
| Net Charge | 0 |
| Average Mass | 777.269 |
| Monoisotopic Mass | 776.68939 |
| SMILES | [H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h19,22,46H,4-18,20-21,23-45H2,1-3H3/b22-19-/t46-/m1/s1 |
| InChIKey | VUYXIQLBLBPRDY-VOHILQMLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(16:0/14:0/16:1(9Z)) (CHEBI:145230) is a TG(16:0/14:0/16:1) (CHEBI:145309) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0010412 | HMDB |